General Information of the Compound
| Compound ID |
CP0372833
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(1-methylpiperidin-4-yl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H28N6O2
|
||||||||||||||||||
| Molecular Weight |
408.506
|
||||||||||||||||||
| Canonical SMILES |
CN1CCC(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H28N6O2/c1-14-11-15(2)28(26-14)20-13-19(24-22(25-20)18-6-5-16(3)30-18)23-21(29)12-17-7-9-27(4)10-8-17/h5-6,11,13,17H,7-10,12H2,1-4H3,(H,23,24,25,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BKVXJUVJYOXVBD-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT01608, Adenosine receptor A2a
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2